N-[(1S,4R)-3-bicyclo[2.2.1]heptanyl]-2-thiomorpholin-4-yl-quinoline-4-carboxamide

Systemtic Name: N-[(1S,4R)-3-bicyclo[2.2.1]heptanyl]-2-thiomorpholin-4-yl-quinoline-4-carboxamide Openeye Name: N-[(1R,4S)-norbornan-2-yl]-2-thiomorpholino-quinoline-4-carboxamide CAS Name: N-[(1S,4R)-3-bicyclo[2.2.1]heptanyl]-2-thiomorpholin-4-yl-4-quinolinecarboxamide IUPAC Name: N-[(1S,4R)-3-bicyclo[2.2.1]heptanyl]-2-thiomorpholin-4-ylquinoline-4-carboxamide Traditional Name: N-[(1R,4S)-norbornan-2-yl]-2-thiomorpholino-cinchoninamide Formula: C21H25N3OS MolecularWeight: 367.5077

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CC1CC2NC(=O)C3=CC(=NC4=CC=CC=C43)N5CCSCC5

Isomeric SMILES

C1C[C@@H]2C[C@H]1CC2NC(=O)C3=CC(=NC4=CC=CC=C43)N5CCSCC5

InChI

InChI=1S/C21H25N3OS/c25-21(23-19-12-14-5-6-15(19)11-14)17-13-20(24-7-9-26-10-8-24)22-18-4-2-1-3-16(17)18/h1-4,13-15,19H,5-12H2,(H,23,25)/t14-,15+,19?/m0/s1